2,4-dimethylpentan-3-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate

C17H26FN3O6 — CID 57193738

IUPAC2,4-dimethylpentan-3-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
SMILESCC(C)C(OC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)C(O)C2O)cc1F)C(C)C
InChIInChI=1S/C17H26FN3O6/c1-7(2)13(8(3)4)27-17(25)20-14-10(18)6-21(16(24)19-14)15-12(23)11(22)9(5)26-15/h6-9,11-13,15,22-23H,1-5H3,(H,19,20,24,25)/t9-,11?,12?,15-/m1/s1
InChIKeyHZFTUJZSIIBQBJ-HGOJYGERSA-N
MW387.41 g/mol
LogP1.25
Rot. Bonds5

About 2,4-dimethylpentan-3-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate

2,4-dimethylpentan-3-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate (PubChem CID 57193738) has the molecular formula C17H26FN3O6 and a molecular weight of 387.41 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
PubChem CID57193738
Molecular FormulaC17H26FN3O6
Molecular Weight387.41 g/mol
Exact Mass387.18
IUPAC Name2,4-dimethylpentan-3-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
SMILESCC(C)C(OC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)C(O)C2O)cc1F)C(C)C
InChIInChI=1S/C17H26FN3O6/c1-7(2)13(8(3)4)27-17(25)20-14-10(18)6-21(16(24)19-14)15-12(23)11(22)9(5)26-15/h6-9,11-13,15,22-23H,1-5H3,(H,19,20,24,25)/t9-,11?,12?,15-/m1/s1
InChIKeyHZFTUJZSIIBQBJ-HGOJYGERSA-N
XLogP1.25
TPSA122.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
The IUPAC name of 2,4-dimethylpentan-3-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate (CID 57193738) is 2,4-dimethylpentan-3-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate.
What is the SMILES notation for 2,4-dimethylpentan-3-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
The canonical SMILES for 2,4-dimethylpentan-3-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate is CC(C)C(OC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)C(O)C2O)cc1F)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
The InChIKey is HZFTUJZSIIBQBJ-HGOJYGERSA-N. The full InChI is InChI=1S/C17H26FN3O6/c1-7(2)13(8(3)4)27-17(25)20-14-10(18)6-21(16(24)19-14)15-12(23)11(22)9(5)26-15/h6-9,11-13,15,22-23H,1-5H3,(H,19,20,24,25)/t9-,11?,12?,15-/m1/s1.
What are the key properties of 2,4-dimethylpentan-3-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
2,4-dimethylpentan-3-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate has a molecular weight of 387.41 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate is sourced from PubChem (CID 57193738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).